CID 127019

146670-40-8

Structural Information

Molecular Formula
C24H28O4
SMILES
CC1(CCC(C2=C1C=CC(=C2)C3(OCCO3)C4=CC=C(C=C4)C(=O)O)(C)C)C
InChI
InChI=1S/C24H28O4/c1-22(2)11-12-23(3,4)20-15-18(9-10-19(20)22)24(27-13-14-28-24)17-7-5-16(6-8-17)21(25)26/h5-10,15H,11-14H2,1-4H3,(H,25,26)
InChIKey
ZZUKALQMHNSWTK-UHFFFAOYSA-N
Compound name
4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolan-2-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

120
Patents

380.19876 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.20604 187.7
[M+Na]+ 403.18798 200.4
[M+NH4]+ 398.23258 199.7
[M+K]+ 419.16192 190.4
[M-H]- 379.19148 195.6
[M+Na-2H]- 401.17343 196.9
[M]+ 380.19821 192.4
[M]- 380.19931 192.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe